SCHEMBL5369830

SCHEMBL5369830

CC1(C)O[C@@H]2[C@H](COC(F)(F)F)C[C@@H](n3cnc4c(Cl)ncnc43)[C@@H]2O1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
PI4KA P42356 1/20 0.37
PI4K2B Q8TCG2 1/20 0.37
PI4K2A Q9BTU6 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
AHCY P23526 2/20 0.35
AMD1 P17707 2/20 0.35
ADORA2B P29275 1/20 0.34
P2RX1 P51575 1/20 0.34
P2RX3 P56373 1/20 0.34
P2RX4 Q99571 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5370555 0.89 RXFP1 (0.41) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL12779230 0.88 RXFP1 (0.40) TYMPRXFP1PI4KAPI4K2BPI4K2A
SCHEMBL5373131 0.86 RXFP1 (0.38) TYMPRXFP1PI4KAPI4K2BPI4K2A
SCHEMBL5370706 0.86 PI4KA (0.40) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL23776534 0.85 AHCY (0.47) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL18512602 0.85 AHCY (0.47) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL5319686 0.84 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL23776486 0.84 PI4KA (0.42) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL17889809 0.84 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL1799630 0.84 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBAHCY

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7265111-B2 Adenosine analogues and their use as pharmaceutical agents SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-09-04 US claimed
EP-1527083-A1 NOVEL ADENOSINE ANALOGUES AND THEIR USE AS PHARMACEUTICAL AGENTS Aventis Pharma Deutschland GmbH (DE) 2005-05-04 EP claimed
US-20040127434-A1 Novel adenosine analogues and their use as pharmaceutical agents SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-07-01 US claimed
WO-2004003002-A1 NOVEL ADENOSINE ANALOGUES AND THEIR USE AS PHARMACEUTICAL AGENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-01-08 WO claimed
EP-1375508-A1 N6-substituted adenosine analogues and their use as pharmaceutical agents Aventis Pharma Deutschland GmbH (DE) 2004-01-02 EP claimed
US-7265111-B2 Adenosine analogues and their use as pharmaceutical agents SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-09-04 US disclosed
EP-1527083-A1 NOVEL ADENOSINE ANALOGUES AND THEIR USE AS PHARMACEUTICAL AGENTS Aventis Pharma Deutschland GmbH (DE) 2005-05-04 EP disclosed
US-20040127434-A1 Novel adenosine analogues and their use as pharmaceutical agents SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-07-01 US disclosed
WO-2004003002-A1 NOVEL ADENOSINE ANALOGUES AND THEIR USE AS PHARMACEUTICAL AGENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-01-08 WO disclosed
EP-1375508-A1 N6-substituted adenosine analogues and their use as pharmaceutical agents Aventis Pharma Deutschland GmbH (DE) 2004-01-02 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040127434-A1 Novel adenosine analogues and their use as pharmaceutical agents ADORA1, ADORA2A, ADORA2B TYMP 237/4885RXFP1 278/4885PI4KA 845/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.